Geometry & MOs

Info

ID:	430778
PubChem CID:	135170845
Reduced:	N2S3O7H20C23 (1)
Stoich.:	A2B3C7D20E23 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-130.73
Dipole, Da:	4.34
IP(EA), eV:	-8.87(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COS(=O)C1=CC=C(C2=CC=CC=C21)N/N=C/3\C(=O)C=CC4=C3C(=CC(=C4)S(=O)OC)S(=O)OC

DOS

IR

Vibrations